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BDBM50484746 CHEMBL1957076

SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(cc1)-c1cccnc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=NEQKOPXCTPYQIB-PIZZNKLWSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50484746   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50484746
PNG
(CHEMBL1957076)
Show SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(cc1)-c1cccnc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C30H38N4O6S/c1-21(2)18-34(41(37,38)27-11-9-25(31)10-12-27)19-29(35)28(33-30(36)40-26-13-15-39-20-26)16-22-5-7-23(8-6-22)24-4-3-14-32-17-24/h3-12,14,17,21,26,28-29,35H,13,15-16,18-20,31H2,1-2H3,(H,33,36)/t26-,28-,29+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 0.330n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis

Bioorg Med Chem Lett 22: 1976-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.037
BindingDB Entry DOI: 10.7270/Q2V69ND3
More data for this
Ligand-Target Pair